SCHEMBL17902832

SCHEMBL17902832

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)Nc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.45
CYP17A1 P05093 2/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NR1H4 Q96RI1 2/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MB P02144 1/20 0.40
CYP1A1 P04798 1/20 0.40
CA3 P07451 1/20 0.40
CYP3A4 P08684 1/20 0.40
RARG P13631 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5AP P20292 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17894453 1.00 MIF (0.45) MIFCYP17A1MAPTALDH1A1NR1H4
SCHEMBL18256797 1.00 MIF (0.45) MIFCYP17A1MAPTALDH1A1NR1H4
SCHEMBL10092627 0.92 CYP17A1 (0.48) CYP17A1NR1H4BRD4PSMB8L3MBTL1
SCHEMBL14155353 0.92 CYP17A1 (0.48) CYP17A1NR1H4BRD4PSMB8L3MBTL1
SCHEMBL13293398 0.89 CYP17A1 (0.43) CYP17A1ALDH1A1NR1H4CA12CA1
SCHEMBL13062960 0.89 CYP17A1 (0.40) CYP17A1MAPTALDH1A1NR1H4MEN1
SCHEMBL3777963 0.89 CYP17A1 (0.40) CYP17A1MAPTALDH1A1NR1H4MEN1
SCHEMBL3777965 0.89 CYP17A1 (0.40) CYP17A1MAPTALDH1A1NR1H4MEN1
SCHEMBL29803908 0.88 MAP4K4 (0.40) CYP17A1MAPTNR1H4MEN1CA1
SCHEMBL12049315 0.88 CYP17A1 (0.40) CYP17A1NR1H4PSMB8PTPN11MAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC (US) 2023-07-04 US disclosed
US-20230105108-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-04-06 US disclosed
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 US disclosed
US-10980234-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC (US) 2021-04-20 US disclosed
US-10779539-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC. (US) 2020-09-22 US disclosed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
US-20170303541-A1 ANTIMICROBIAL GUANIDINIUM AND THIOURONIUM FUNCTIONALIZED POLYMERS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-26 US disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB MIF 533/4885CYP17A1 1410/4885MAPT 4304/4885
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 MIF 1137/4885CYP17A1 4746/4885MAPT 4279/4885
US-20170303541-A1 ANTIMICROBIAL GUANIDINIUM AND THIOURONIUM FUNCTIONALIZED POLYMERS PUF60, CAPG, GMPS MIF 92/4885CYP17A1 4853/4885MAPT 1608/4885
US-20230105108-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS BPGM, MYD88, PGLS MIF 767/4885CYP17A1 4493/4885MAPT 3202/4885
US-10980234-B2 Antimicrobial guanidinium and thiouronium functionalized polymers PUF60, CAPG, GMPS MIF 92/4885CYP17A1 4853/4885MAPT 1608/4885
US-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers PUF60, CAPG, GMPS MIF 92/4885CYP17A1 4853/4885MAPT 1608/4885
US-10779539-B2 Antimicrobial guanidinium and thiouronium functionalized polymers PUF60, CAPG, GMPS MIF 92/4885CYP17A1 4853/4885MAPT 1608/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.